CAS RN: 1381782-08-6
(-)-Viriditoxin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250525 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1381782-08-6
- Purity/Analytical Methods: >99.0%
1381782-08-6 / methyl 2-[(3S)-6-[(3S)-9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetate
Basic Information
CAS
1381782-08-6
Multi CAS
No
Molecular Formula
C34H30O14
Molecular Weight
662.600000
Exact Mass
662.163556
SMILES
COC1=C(C2=C(C(=C1)O)C(=C3C(=C2)C[C@H](OC3=O)CC(=O)OC)O)C4=C(C=C(C5=C4C=C6C[C@H](OC(=O)C6=C5O)CC(=O)OC)O)OC
InChI
InChI=1S/C34H30O14/c1-43-21-11-19(35)27-17(7-13-5-15(9-23(37)45-3)47-33(41)25(13)31(27)39)29(21)30-18-8-14-6-16(10-24(38)46-4)48-34(42)26(14)32(40)28(18)20(36)12-22(30)44-2/h7-8,11-12,15-16,35-36,39-40H,5-6,9-10H2,1-4H3/t15-,16-/m0/s1
InChIKey
GMCZVCXZGZGZPX-HOTGVXAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
4
Molar refractivity
165.73
TPSA
204.58
LogP / Solubility
WLOGP
3.79
MLOGP
3.39
XLogP3
5.2
Consensus LogP
4.13
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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